Geometry & MOs

Info

ID:	191705
PubChem CID:	78179647
Reduced:	ON5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	88.93
Dipole, Da:	8.1
IP(EA), eV:	-9.2(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-9-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]-5H-purin-6-one

Drug info:

PubChemData

Smile

C=CCN1C=NC2C1=NC(=NC2=O)NC3=CC=CC=C3

DOS

IR

Vibrations